4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

C72H59F3N22O8 — CID 161172172

IUPAC4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C25H20FN7O4.C24H20FN7O2.C23H19FN8O2/c1-12-7-14-15(30-12)4-6-18(22(14)26)37-25-21(24(34)27-2)23(28-10-29-25)31-20-9-16(32-33-20)13-3-5-17-19(8-13)36-11-35-17;1-13-10-15-16(29-13)8-9-18(21(15)25)34-24-20(23(33)26-2)22(27-12-28-24)30-19-11-17(31-32-19)14-6-4-3-5-7-14;1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-10,30H,11H2,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-12,29H,1-2H3,(H,26,33)(H2,27,28,30,31,32);3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32)
InChIKeyURICLJVJFUTCGP-UHFFFAOYSA-N
MW1417.40 g/mol
LogP13.20
Rot. Bonds18

About 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 161172172) has the molecular formula C72H59F3N22O8 and a molecular weight of 1417.40 g/mol. Its IUPAC name is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID161172172
Molecular FormulaC72H59F3N22O8
Molecular Weight1417.40 g/mol
Exact Mass1416.48
IUPAC Name4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F
InChIInChI=1S/C25H20FN7O4.C24H20FN7O2.C23H19FN8O2/c1-12-7-14-15(30-12)4-6-18(22(14)26)37-25-21(24(34)27-2)23(28-10-29-25)31-20-9-16(32-33-20)13-3-5-17-19(8-13)36-11-35-17;1-13-10-15-16(29-13)8-9-18(21(15)25)34-24-20(23(33)26-2)22(27-12-28-24)30-19-11-17(31-32-19)14-6-4-3-5-7-14;1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-10,30H,11H2,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-12,29H,1-2H3,(H,26,33)(H2,27,28,30,31,32);3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32)
InChIKeyURICLJVJFUTCGP-UHFFFAOYSA-N
XLogP13.20
TPSA393.18 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.40
LogP ≤ 513.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[[5-(4,5-didehydropyridin-2-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
CID 122519510
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520508
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide
CID 122520534
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
CID 122520577
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-N-ethyl-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide
CID 122520669
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122520680
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122521006
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122521020
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide
CID 122521074
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide
CID 122521086
azetidin-1-yl-[4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone
CID 122521093
azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 122521127

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide (CID 161172172) is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is CNC(=O)c1c(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccc3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.CNC(=O)c1c(Nc2cc(-c3ccccn3)[nH]n2)ncnc1Oc1ccc2[nH]c(C)cc2c1F.
What is the InChIKey of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is URICLJVJFUTCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O4.C24H20FN7O2.C23H19FN8O2/c1-12-7-14-15(30-12)4-6-18(22(14)26)37-25-21(24(34)27-2)23(28-10-29-25)31-20-9-16(32-33-20)13-3-5-17-19(8-13)36-11-35-17;1-13-10-15-16(29-13)8-9-18(21(15)25)34-24-20(23(33)26-2)22(27-12-28-24)30-19-11-17(31-32-19)14-6-4-3-5-7-14;1-12-9-13-14(29-12)6-7-17(20(13)24)34-23-19(22(33)25-2)21(27-11-28-23)30-18-10-16(31-32-18)15-5-3-4-8-26-15/h3-10,30H,11H2,1-2H3,(H,27,34)(H2,28,29,31,32,33);3-12,29H,1-2H3,(H,26,33)(H2,27,28,30,31,32);3-11,29H,1-2H3,(H,25,33)(H2,27,28,30,31,32).
What are the key properties of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide?
4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 1417.40 g/mol, XLogP of 13.20, 18 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 161172172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).